SCHEMBL14942145

SCHEMBL14942145

CC(C)(C)OC(=O)NN=CCc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MAPT P10636 9/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.51
MIF P14174 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
RECQL P46063 1/20 0.45
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14938449 0.79 HSD17B10 (0.59) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL14938515 0.79 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL28909466 0.78 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7104950 0.77 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL28909447 0.75 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL28909455 0.75 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL216619 0.75 HSD17B10 (0.60) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL20582046 0.73 MIF (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL28909512 0.73 MIF (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL14938453 0.73 GAA (0.43) SMN1; SMN2MAPTKMT2AALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013067646-A1 PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS UNIVERSITY OF OTTAWA (CA) 2013-05-16 WO disclosed